CID 369353

4,4a,5,6-tetrahydro-4a-methyl-benzo(h)cinnolin-3(2h)-one

Structural Information

Molecular Formula
C13H14N2O
SMILES
CC12CCC3=CC=CC=C3C1=NNC(=O)C2
InChI
InChI=1S/C13H14N2O/c1-13-7-6-9-4-2-3-5-10(9)12(13)15-14-11(16)8-13/h2-5H,6-8H2,1H3,(H,14,16)
InChIKey
XXPJSJVCOUWWCD-UHFFFAOYSA-N
Compound name
4a-methyl-2,4,5,6-tetrahydrobenzo[h]cinnolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

214.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 148.3
[M+Na]+ 237.09983 156.5
[M-H]- 213.10333 149.2
[M+NH4]+ 232.14443 167.5
[M+K]+ 253.07377 151.4
[M+H-H2O]+ 197.10787 140.3
[M+HCOO]- 259.10881 163.0
[M+CH3COO]- 273.12446 159.4
[M+Na-2H]- 235.08528 156.6
[M]+ 214.11006 143.7
[M]- 214.11116 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe